Related papers: Phase Behavior of Short Range Square Well Model
Water's unique anomalies are vital in various applications and biological processes, yet the molecular mechanisms behind these anomalies remain debated, particularly in the metastable liquid phase under supercooling and stretching…
The classical two-dimensional discrete frustrated $\phi ^4$ model is studied by Monte Carlo simulations. The correlation function is obtained for two values of a parameter $d$ that determines the frustration in the model. The ground state…
We use the diffusion quantum Monte Carlo to revisit the enthalpy-pressure phase diagram of the various products from the different proposed decompositions of H$_2$S at pressures above 150~GPa. Our results entails a revision of the…
The phase behavior of the Baxter adhesive hard sphere fluid has been determined using specialized Monte Carlo simulations. We give a detailed account of the techniques used and present data for the fluid-fluid coexistence curve as well as…
In this paper we propose a general framework for the uncertainty quantification of quantities of interest for high-contrast single-phase flow problems. It is based on the generalized multiscale finite element method (GMsFEM) and multilevel…
We present Monte Carlo simulations on a lattice system that displays a first order phase transition between a disordered phase (liquid) and an ordered phase (crystal). The model is augmented by an interaction that simulates the effect of…
By tempered Monte Carlo simulations, we study 2D site-diluted dipolar Ising systems. Dipoles are randomly placed on a fraction x of all L^2 sites in a square lattice, and point along a common crystalline axis. For x_c< x<=1, where x_c =…
We study the phase behavior of a classical system of particles interacting through a strictly convex soft-repulsive potential which, at variance with the pairwise softened repulsions considered so far in the literature, lacks a region of…
We investigate the attractive Hubbard model in infinite spatial dimensions by combining dynamical mean-field theory with a strong-coupling continuous-time quantum Monte Carlo method. By calculating the superfluid order parameter and the…
Herein, we study the extended Jaynes-Cummings-Hubbard model mainly by the large-scale worm quantum Monte-Carlo method to check whether or not a light supersolid phase exists in various geometries, such as the one-dimensional chain, square…
In the present paper we propose the van der Waals-like model, which allows a purely analytical study of fluid properties including the equation of state, phase behavior and supercritical fluctuations. We take a square-well system as an…
Using isobaric Monte Carlo simulations, we map out the entire phase diagram of a system of hard cylindrical particles of length $L$ and diameter $D$, using an improved algorithm to identify the overlap condition between two cylinders. Both…
We investigate the isotropic-anisotropic phase transition of the two-dimensional XY model with six-fold anisotropy, using Monte Carlo renormalization group method. The result indicates difficulty of observing asymptotic critical behavior in…
We systematically explored the phase behavior of the hard-core two-scale ramp model suggested by Jagla[E. A. Jagla, Phys. Rev. E 63, 061501 (2001)] using a combination of the nested sampling and free energy methods. The sampling revealed…
We present the results of a high-statistics Monte Carlo simulation of a phantom crystalline (fixed-connectivity) membrane with free boundary. We verify the existence of a flat phase by examining lattices of size up to $128^2$. The…
In the context of Monte Carlo simulations, the analysis of the probability distribution $P_L(m)$ of the order parameter $m$, as obtained in simulation boxes of finite linear extension $L$, allows for an easy estimation of the location of…
We perform Monte Carlo simulation of the thermodynamic and structural properties of Hard-, Square-Well, and Square-Shoulder Disks in narrow channels. For the thermodynamics we study the internal energy per particle and the longitudinal and…
We use improved Monte-Carlo algorithms to study the antiferromagnetic 2D-Ising model with competing interactions $J_1$ on nearest neighbour and $J_2$ on next-nearest neighbour bonds. The finite-temperature phase diagram is divided by a…
We report a simulation study of the gas-liquid critical point for the square-well potential, for values of well width delta as small as 0.005 times the particle diameter sigma. For small delta, the reduced second virial coefficient at the…
We consider conservation laws with discontinuous flux where the initial datum, the flux function, and the discontinuous spatial dependency coefficient are subject to randomness. We establish a notion of random adapted entropy solutions to…